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183205-46-1 | 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-(chloromethyl)-
CAS No: 183205-46-1 Catalog No: AG0027EU MDL No:
Product Description
Catalog Number:
AG0027EU
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-(chloromethyl)-
CAS Number:
183205-46-1
Molecular Formula:
C5H4BrClN2O2
Molecular Weight:
239.4545
IUPAC Name:
5-bromo-6-(chloromethyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H4BrClN2O2/c6-3-2(1-7)8-5(11)9-4(3)10/h1H2,(H2,8,9,10,11)
InChI Key:
UWWZGJCOEQUIHN-UHFFFAOYSA-N
SMILES:
ClCc1[nH]c(=O)[nH]c(=O)c1Br
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.914g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.453g/mol
Monoisotopic Mass:
237.914g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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